- Title
- South African Abietane Diterpenoids and their analogs as potential antimalarials: novel insights from hybrid computational approaches
- Creator
- Musyoka, Thommas M, Tastan Bishop, Özlem
- Date
- 2019
- Type
- text
- Type
- article
- Identifier
- http://hdl.handle.net/10962/162665
- Identifier
- vital:40971
- Identifier
- https://doi.org/10.3390/molecules24224036
- Description
- The hemoglobin degradation process in Plasmodium parasites is vital for nutrient acquisition required for their growth and proliferation. In P. falciparum, falcipains (FP-2 and FP-3) are the major hemoglobinases, and remain attractive antimalarial drug targets. Other Plasmodium species also possess highly homologous proteins to FP-2 and FP-3. Although several inhibitors have been designed against these proteins, none has been commercialized due to associated toxicity on human cathepsins (Cat-K, Cat-L and Cat-S). Despite the two enzyme groups sharing a common structural fold and catalytic mechanism, distinct active site variations have been identified, and can be exploited for drug development. Here, we utilize in silico approaches to screen 628 compounds from the South African natural sources to identify potential hits that can selectively inhibit the plasmodial proteases.
- Format
- 26 page, pdf
- Language
- English
- Relation
- Molecules, Musyoka, T. and Bishop, Ö.T., 2019. South African Abietane Diterpenoids and their analogs as potential antimalarials: novel insights from hybrid computational approaches. Molecules, 24(22), p.4036, Molecules volume 24 number 22 1 25 October 2019 1420-3049
- Rights
- Publisher
- Rights
- Use of this resource is governed by the terms and conditions of the MDPI Open Access Statement (https://www.int-res.com/journals/terms-of-use/)
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Tastan Bishop, Ozlem (Prof)
RU Research Unit in Bioinformatics (RUBi)
SDG 03. Good Health and Well-Being
RU Department of Biochemistry, Microbiology and Bioinformatics
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|---|---|---|---|---|---|---|---|
| View Details Download | SOURCE1 | South African Abietane Diterpenoids and their analogs as potential antimalarials.pdf | 3 MB | Adobe Acrobat PDF | View Details Download |